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5β-pregnane-3α,11β,17,20-β-tetrol

View entire compound with spectra: 2 NMR, and 2 FTIR

5β-pregnane-3α,11β,17,20-β-tetrol
SpectraBase Compound ID 8aDh46WIaiV
InChI InChI=1S/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey CQRHDJNAPDZBCN-WMXXAVTFSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BOMGTFfTUfN
Name 5β-pregnane-3α,11β,17,20-β-tetrol
Source of Sample J. J. Schneider, Jefferson Medical Center, Philadelphia, Pennsylvania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey CQRHDJNAPDZBCN-WMXXAVTFSA-N
Melting Point 281-283C
Molecular Weight 352.514440
Synonyms PREGNANE-3A,11B,17,20B-TETROL
Technique KBr WAFER